(Q104396937)

English

[(1S,4R,7S,9R,13R)-16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] 3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₂₉H₃₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

lathyrane diterpenoid

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inferred from

lathyrane diterpenoid

mass

480.251188872 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₆

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canonical SMILES

O=C(OC12C(=O)C(=CC3C(CCC4(OC4C2C(O)C(C)C1)C)C3(C)C)CO)C=CC=5C=CC=CC5

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isomeric SMILES

CC1C[C@]2(OC(=O)C=Cc3ccccc3)C(=O)C(CO)=C[C@@H]3[C@H](CC[C@@]4(C)OC4[C@@H]2C1O)C3(C)C

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found in taxon

Euphorbia lathyris

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stated in

Macrocyclic lathyrane type diterpene esters (jolkinols) from callus cultures and roots of Euphorbia lathyris

Euphorbia hirsuta

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stated in

Euphopubescenol and euphopubescene, two new jatrophane polyesters, and lathyrane-type diterpenes from Euphorbia pubescens

Identifiers

InChI

InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/t17?,20-,21+,23-,24?,26?,28+,29+/m0/s1

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InChIKey

ZLHWPIKKGZWBKR-HZHURJPVSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZLHWPIKKGZWBKR-HZHURJPVSA-N

1 reference

(Q104396937)

[(1S,4R,7S,9R,13R)-16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] 3-phenylprop-2-enoate

Statements

Identifiers

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